01744nas a2200169   4500008004100000022001400041245009700055210006900152260000800221300001100229490000800240520113000248100001801378700002401396700003401420856012001454       2022                        eng d  a2470-004500aIdentifying structural signature of dynamical heterogeneity via the local softness parameter0 aIdentifying structural signature of dynamical heterogeneity via   cAPR  a0446040 v1053 a<p>
	In this work we study the relationship between the softness of a mean-field caging potential and dynamics at the local level. We first describe the local softness, which shows a distribution, thus identifying structural heterogeneity. We show that the lifetime of the softness parameter is connected to the lifetime of the well-known cage structure in supercooled liquids. Finally, our theory predicts that the local softness and the local dynamics is causal below the onset temperature where there is a decoupling between the short and long time dynamics, thus allowing a static description of the cage. With the decrease in temperature, the correlation between structure and dynamics increases. The study shows that at lower temperatures, the structural heterogeneity increases, and since the structure becomes a better predictor of the dynamics, it leads to an increase in the dynamical heterogeneity. We also find that the softness of a hard, immobile region evolves with time and becomes soft and eventually mobile due to the rearrangements in the neighborhood, confirming the well-known facilitation effect.</p>
1 aSharma, Mohit1 aNandi, Manoj, Kumar1 aBhattacharyya, Sarika, Maitra  uhttp://library.ncl.res.in/content/identifying-structural-signature-dynamical-heterogeneity-local-softness-parameter02197nas a2200169   4500008004100000022001400041245013700055210006900192260000800261300001100269490000800280520154300288100001701831700001801848700003401866856012701900       2023                        eng d  a0021-960600aDynamic heterogeneity in polydisperse systems: a comparative study of the role of local structural order parameter and particle size0 aDynamic heterogeneity in polydisperse systems a comparative stud  cJUL  a0445010 v1593 a<p>
	In polydisperse systems, describing the structure and any structural order parameter (SOP) is not trivial as it varies with the number of species we use to describe the system, M. Depending on the degree of polydispersity, there is an optimum value of M = M-0 where we show that the mutual information of the system increases. However, surprisingly, the correlation between a recently proposed SOP and the dynamics is highest for M = 1. This effect increases with polydispersity. We find that the SOP at M = 1 is coupled with the particle size, s, and this coupling increases with polydispersity and decreases with an increase in M. Careful analysis shows that at lower polydispersities, the SOP is a good predictor of the dynamics. However, at higher polydispersity, the dynamics is strongly dependent on s. Since the coupling between the SOP and s is higher for M = 1, it appears to be a better predictor of the dynamics. We also study the Vibrality, an order parameter independent of structural information. Compared to SOP, at high polydispersity, we find Vibrality to be a marginally better predictor of the dynamics. However, this high predictive power of Vibrality, which is not there at lower polydispersity, appears to be due to its stronger coupling with s. Therefore, our study suggests that for systems with high polydispersity, the correlation of any order parameter and s will affect the correlation between the order parameter and dynamics and need not project a generic predictive power of the order parameter.</p>
1 aPatel, Palak1 aSharma, Mohit1 aBhattacharyya, Sarika, Maitra  uhttp://library.ncl.res.in/content/dynamic-heterogeneity-polydisperse-systems-comparative-study-role-local-structural-order